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Information card for entry 2012874
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| Coordinates | 2012874.cif |
|---|---|
| Structure factors | 2012874.hkl |
| Original IUCr paper | HTML |
| Chemical name | N-(L-2-aminobutyryl)-L-alanine |
|---|---|
| Formula | C7 H14 N2 O3 |
| Calculated formula | C7 H14 N2 O3 |
| Title of publication | <i>N</i>-(<small>L</small>-2-Aminobutyryl)-<small>L</small>-alanine and 2-(<small>L</small>-alanylamino)-<small>L</small>-butyric acid 0.33-hydrate |
| Authors of publication | Görbitz, Carl Henrik |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Journal issue | 8 |
| Pages of publication | o533 - o536 |
| a | 17.929 ± 0.0012 Å |
| b | 17.929 ± 0.0012 Å |
| c | 5.2196 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1677.8 ± 0.2 Å3 |
| Cell temperature | 105 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 79 |
| Hermann-Mauguin space group symbol | I 4 |
| Hall space group symbol | I 4 |
| Residual factor for all reflections | 0.081 |
| Residual factor for significantly intense reflections | 0.079 |
| Weighted residual factors for significantly intense reflections | 0.179 |
| Weighted residual factors for all reflections included in the refinement | 0.18 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.267 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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